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protocols::MakeRotLib::RotData Class Reference

#include <RotData.hh>

Collaboration diagram for protocols::MakeRotLib::RotData:
Collaboration graph
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Public Member Functions

void set_twist (Real twist)
 
void set_inter_rep (Real inter_rep)
 
void set_inter_atr (Real inter_atr)
 
void set_intra_rep (Real intra_rep)
 
void set_intra_atr (Real intra_atr)
 
void set_solvation (Real solvation)
 
Real get_twist ()
 
Real get_inter_rep ()
 
Real get_inter_atr ()
 
Real get_intra_rep ()
 
Real get_intra_atr ()
 
Real get_solvation ()
 
 RotData (Size NumChi, Size NumCluster)
 
void set_phi (Real Phi)
 
void set_psi (Real Psi)
 
void set_omega (Real Omega)
 
void set_min_omega (Real MinOmega)
 
void set_epsilon (Real Epsilon)
 
void set_min_epsilon (Real MinEpsilon)
 
Real get_phi ()
 
Real get_psi ()
 
Real get_omega ()
 
Real get_min_omega ()
 
Real get_epsilon ()
 
Real get_min_epsilon ()
 
void set_energy (Real Energy)
 
Real get_energy ()
 
void set_probability (Real Probability)
 
Real get_probability ()
 
void set_num_chi (Size Num_Chi)
 
Size get_num_chi ()
 
void set_num_clusters (Size num)
 
Size get_num_clusters ()
 
void set_cluster_num (Size Cluster_Num)
 
Size get_cluster_num ()
 
void set_inp_chi (Real angle, Size num)
 
Real get_inp_chi (Size num)
 
void set_min_chi (Real angle, Size num)
 
Real get_min_chi (Size num)
 
void set_lib_chi_val (int val, Size num)
 
Real get_lib_chi_val (Size num)
 
void set_std_dev (Real STD, Size num)
 
Real get_std_dev (Size num)
 
void set_cen_dist (Real dist, Size num)
 
Real get_cen_dist (Size num)
 
Size get_min_cent_dist ()
 

Private Attributes

Real phi_
 
Real psi_
 
Real omega_
 
Real min_omega_
 
Real epsilon_
 
Real min_epsilon_
 
Real energy_
 
Real probability_
 
Size num_chi_
 
Size num_clusters_
 
Size cluster_num_
 
vector1< Real > inp_chi_
 
vector1< Real > min_chi_
 
vector1< int > lib_chi_val_
 
vector1< Real > std_dev_
 
vector1< Real > cen_dst_
 
Real twist_
 
Real inter_rep_
 
Real inter_atr_
 
Real intra_rep_
 
Real intra_atr_
 
Real solvation_
 

Detailed Description

Definition at line 33 of file RotData.hh.

Constructor & Destructor Documentation

protocols::MakeRotLib::RotData::RotData ( Size  NumChi,
Size  NumCluster 
)

Definition at line 22 of file RotData.cc.

References cen_dst_, inp_chi_, lib_chi_val_, min_chi_, and std_dev_.

Member Function Documentation

Real protocols::MakeRotLib::RotData::get_cen_dist ( Size  num)
inline

Definition at line 212 of file RotData.hh.

Referenced by protocols::MakeRotLib::pretty_print_rd().

Size protocols::MakeRotLib::RotData::get_cluster_num ( )
inline

Definition at line 172 of file RotData.hh.

Referenced by protocols::MakeRotLib::pretty_print_rd().

Real protocols::MakeRotLib::RotData::get_energy ( )
inline

Definition at line 140 of file RotData.hh.

Referenced by protocols::MakeRotLib::pretty_print_rd().

Real protocols::MakeRotLib::RotData::get_epsilon ( )
inline

Definition at line 129 of file RotData.hh.

Real protocols::MakeRotLib::RotData::get_inp_chi ( Size  num)
inline

Definition at line 180 of file RotData.hh.

Referenced by protocols::MakeRotLib::pretty_print_rd().

Real protocols::MakeRotLib::RotData::get_inter_atr ( )
inline

Definition at line 81 of file RotData.hh.

Real protocols::MakeRotLib::RotData::get_inter_rep ( )
inline

Definition at line 78 of file RotData.hh.

Real protocols::MakeRotLib::RotData::get_intra_atr ( )
inline

Definition at line 87 of file RotData.hh.

Referenced by protocols::MakeRotLib::pretty_print_rd().

Real protocols::MakeRotLib::RotData::get_intra_rep ( )
inline

Definition at line 84 of file RotData.hh.

Referenced by protocols::MakeRotLib::pretty_print_rd().

Real protocols::MakeRotLib::RotData::get_lib_chi_val ( Size  num)
inline

Definition at line 196 of file RotData.hh.

Size protocols::MakeRotLib::RotData::get_min_cent_dist ( )
inline

Definition at line 216 of file RotData.hh.

Real protocols::MakeRotLib::RotData::get_min_chi ( Size  num)
inline

Definition at line 188 of file RotData.hh.

Referenced by protocols::MakeRotLib::calc_dist(), and protocols::MakeRotLib::pretty_print_rd().

Real protocols::MakeRotLib::RotData::get_min_epsilon ( )
inline

Definition at line 132 of file RotData.hh.

Referenced by protocols::MakeRotLib::pretty_print_rd().

Real protocols::MakeRotLib::RotData::get_min_omega ( )
inline

Definition at line 126 of file RotData.hh.

Referenced by protocols::MakeRotLib::pretty_print_rd().

Size protocols::MakeRotLib::RotData::get_num_chi ( )
inline

Definition at line 156 of file RotData.hh.

Referenced by protocols::MakeRotLib::calc_dist(), and protocols::MakeRotLib::pretty_print_rd().

Size protocols::MakeRotLib::RotData::get_num_clusters ( )
inline

Definition at line 164 of file RotData.hh.

Referenced by protocols::MakeRotLib::pretty_print_rd().

Real protocols::MakeRotLib::RotData::get_omega ( )
inline

Definition at line 123 of file RotData.hh.

Real protocols::MakeRotLib::RotData::get_phi ( )
inline

Definition at line 117 of file RotData.hh.

Referenced by protocols::MakeRotLib::pretty_print_rd().

Real protocols::MakeRotLib::RotData::get_probability ( )
inline

Definition at line 148 of file RotData.hh.

Referenced by protocols::MakeRotLib::pretty_print_rd().

Real protocols::MakeRotLib::RotData::get_psi ( )
inline

Definition at line 120 of file RotData.hh.

Referenced by protocols::MakeRotLib::pretty_print_rd().

Real protocols::MakeRotLib::RotData::get_solvation ( )
inline

Definition at line 90 of file RotData.hh.

Real protocols::MakeRotLib::RotData::get_std_dev ( Size  num)
inline

Definition at line 204 of file RotData.hh.

Referenced by protocols::MakeRotLib::pretty_print_rd().

Real protocols::MakeRotLib::RotData::get_twist ( )
inline

Definition at line 75 of file RotData.hh.

Referenced by protocols::MakeRotLib::pretty_print_rd().

void protocols::MakeRotLib::RotData::set_cen_dist ( Real  dist,
Size  num 
)
inline

Definition at line 208 of file RotData.hh.

void protocols::MakeRotLib::RotData::set_cluster_num ( Size  Cluster_Num)
inline

Definition at line 168 of file RotData.hh.

void protocols::MakeRotLib::RotData::set_energy ( Real  Energy)
inline

Definition at line 136 of file RotData.hh.

void protocols::MakeRotLib::RotData::set_epsilon ( Real  Epsilon)
inline

Definition at line 111 of file RotData.hh.

void protocols::MakeRotLib::RotData::set_inp_chi ( Real  angle,
Size  num 
)
inline

Definition at line 176 of file RotData.hh.

Referenced by protocols::MakeRotLib::init_rotamers_centroids().

void protocols::MakeRotLib::RotData::set_inter_atr ( Real  inter_atr)
inline

Definition at line 62 of file RotData.hh.

void protocols::MakeRotLib::RotData::set_inter_rep ( Real  inter_rep)
inline

Definition at line 59 of file RotData.hh.

void protocols::MakeRotLib::RotData::set_intra_atr ( Real  intra_atr)
inline

Definition at line 68 of file RotData.hh.

void protocols::MakeRotLib::RotData::set_intra_rep ( Real  intra_rep)
inline

Definition at line 65 of file RotData.hh.

void protocols::MakeRotLib::RotData::set_lib_chi_val ( int  val,
Size  num 
)
inline

Definition at line 192 of file RotData.hh.

Referenced by protocols::MakeRotLib::init_rotamers_centroids().

void protocols::MakeRotLib::RotData::set_min_chi ( Real  angle,
Size  num 
)
inline

Definition at line 184 of file RotData.hh.

Referenced by protocols::MakeRotLib::init_rotamers_centroids().

void protocols::MakeRotLib::RotData::set_min_epsilon ( Real  MinEpsilon)
inline

Definition at line 114 of file RotData.hh.

void protocols::MakeRotLib::RotData::set_min_omega ( Real  MinOmega)
inline

Definition at line 108 of file RotData.hh.

void protocols::MakeRotLib::RotData::set_num_chi ( Size  Num_Chi)
inline

Definition at line 152 of file RotData.hh.

void protocols::MakeRotLib::RotData::set_num_clusters ( Size  num)
inline

Definition at line 160 of file RotData.hh.

void protocols::MakeRotLib::RotData::set_omega ( Real  Omega)
inline

Definition at line 105 of file RotData.hh.

void protocols::MakeRotLib::RotData::set_phi ( Real  Phi)
inline

Definition at line 99 of file RotData.hh.

void protocols::MakeRotLib::RotData::set_probability ( Real  Probability)
inline

Definition at line 144 of file RotData.hh.

void protocols::MakeRotLib::RotData::set_psi ( Real  Psi)
inline

Definition at line 102 of file RotData.hh.

void protocols::MakeRotLib::RotData::set_solvation ( Real  solvation)
inline

Definition at line 71 of file RotData.hh.

void protocols::MakeRotLib::RotData::set_std_dev ( Real  STD,
Size  num 
)
inline

Definition at line 200 of file RotData.hh.

void protocols::MakeRotLib::RotData::set_twist ( Real  twist)
inline

Definition at line 56 of file RotData.hh.

Member Data Documentation

vector1<Real> protocols::MakeRotLib::RotData::cen_dst_
private

Definition at line 45 of file RotData.hh.

Referenced by RotData().

Size protocols::MakeRotLib::RotData::cluster_num_
private

Definition at line 40 of file RotData.hh.

Real protocols::MakeRotLib::RotData::energy_
private

Definition at line 36 of file RotData.hh.

Real protocols::MakeRotLib::RotData::epsilon_
private

Definition at line 35 of file RotData.hh.

vector1<Real> protocols::MakeRotLib::RotData::inp_chi_
private

Definition at line 41 of file RotData.hh.

Referenced by RotData().

Real protocols::MakeRotLib::RotData::inter_atr_
private

Definition at line 50 of file RotData.hh.

Real protocols::MakeRotLib::RotData::inter_rep_
private

Definition at line 49 of file RotData.hh.

Real protocols::MakeRotLib::RotData::intra_atr_
private

Definition at line 52 of file RotData.hh.

Real protocols::MakeRotLib::RotData::intra_rep_
private

Definition at line 51 of file RotData.hh.

vector1<int> protocols::MakeRotLib::RotData::lib_chi_val_
private

Definition at line 43 of file RotData.hh.

Referenced by RotData().

vector1<Real> protocols::MakeRotLib::RotData::min_chi_
private

Definition at line 42 of file RotData.hh.

Referenced by RotData().

Real protocols::MakeRotLib::RotData::min_epsilon_
private

Definition at line 35 of file RotData.hh.

Real protocols::MakeRotLib::RotData::min_omega_
private

Definition at line 35 of file RotData.hh.

Size protocols::MakeRotLib::RotData::num_chi_
private

Definition at line 38 of file RotData.hh.

Size protocols::MakeRotLib::RotData::num_clusters_
private

Definition at line 39 of file RotData.hh.

Real protocols::MakeRotLib::RotData::omega_
private

Definition at line 35 of file RotData.hh.

Real protocols::MakeRotLib::RotData::phi_
private

Definition at line 35 of file RotData.hh.

Real protocols::MakeRotLib::RotData::probability_
private

Definition at line 37 of file RotData.hh.

Real protocols::MakeRotLib::RotData::psi_
private

Definition at line 35 of file RotData.hh.

Real protocols::MakeRotLib::RotData::solvation_
private

Definition at line 53 of file RotData.hh.

vector1<Real> protocols::MakeRotLib::RotData::std_dev_
private

Definition at line 44 of file RotData.hh.

Referenced by RotData().

Real protocols::MakeRotLib::RotData::twist_
private

Definition at line 48 of file RotData.hh.

The documentation for this class was generated from the following files:
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